3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine

C15H18Cl2N2 — CID 82577142

IUPAC3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(Cl)c2cc(Cl)cc(CC(C)(C)CN)c2n1
InChIInChI=1S/C15H18Cl2N2/c1-9-4-13(17)12-6-11(16)5-10(14(12)19-9)7-15(2,3)8-18/h4-6H,7-8,18H2,1-3H3
InChIKeyKBPMGNNKTUSHCT-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.38
Rot. Bonds3

About 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine

3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine (PubChem CID 82577142) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
PubChem CID82577142
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(Cl)c2cc(Cl)cc(CC(C)(C)CN)c2n1
InChIInChI=1S/C15H18Cl2N2/c1-9-4-13(17)12-6-11(16)5-10(14(12)19-9)7-15(2,3)8-18/h4-6H,7-8,18H2,1-3H3
InChIKeyKBPMGNNKTUSHCT-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577016
3-(5,8-dichloro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577122
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151
3-(5,8-difluoro-2-methylquinolin-4-yl)-2,2-dimethylpropan-1-amine
CID 82577098
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
CID 82578256
3-(7-chloroisoquinolin-5-yl)-2,2-dimethylpropan-1-amine
CID 82576965
1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577241
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
CID 82449382
6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
CID 82577158
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine (CID 82577142) is 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine is Cc1cc(Cl)c2cc(Cl)cc(CC(C)(C)CN)c2n1.
What is the InChIKey of 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is KBPMGNNKTUSHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-9-4-13(17)12-6-11(16)5-10(14(12)19-9)7-15(2,3)8-18/h4-6H,7-8,18H2,1-3H3.
What are the key properties of 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine?
3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 297.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).